CID 13501485

Benz(cd)indol-2(1h)-one, 6,7,8,8a-tetrahydro-

Structural Information

Molecular Formula
C11H11NO
SMILES
C1CC2C3=C(C1)C=CC=C3C(=O)N2
InChI
InChI=1S/C11H11NO/c13-11-8-5-1-3-7-4-2-6-9(12-11)10(7)8/h1,3,5,9H,2,4,6H2,(H,12,13)
InChIKey
ACSJWLIRNFHVID-UHFFFAOYSA-N
Compound name
6,7,8,8a-tetrahydro-1H-benzo[cd]indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

173.08406 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.09134 135.5
[M+Na]+ 196.07328 143.4
[M-H]- 172.07678 137.3
[M+NH4]+ 191.11788 158.0
[M+K]+ 212.04722 139.1
[M+H-H2O]+ 156.08132 129.6
[M+HCOO]- 218.08226 153.2
[M+CH3COO]- 232.09791 148.2
[M+Na-2H]- 194.05873 141.7
[M]+ 173.08351 132.1
[M]- 173.08461 132.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe